1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine

C18H17ClFN5 — CID 67996840

IUPAC1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine
SMILESFc1ccccc1-n1nnnc1C(NCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClFN5/c19-14-9-7-13(8-10-14)17(21-11-12-5-6-12)18-22-23-24-25(18)16-4-2-1-3-15(16)20/h1-4,7-10,12,17,21H,5-6,11H2
InChIKeyOKYZAJOOLYXSQD-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.54
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine

1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine (PubChem CID 67996840) has the molecular formula C18H17ClFN5 and a molecular weight of 357.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine
PubChem CID67996840
Molecular FormulaC18H17ClFN5
Molecular Weight357.82 g/mol
Exact Mass357.12
IUPAC Name1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine
SMILESFc1ccccc1-n1nnnc1C(NCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClFN5/c19-14-9-7-13(8-10-14)17(21-11-12-5-6-12)18-22-23-24-25(18)16-4-2-1-3-15(16)20/h1-4,7-10,12,17,21H,5-6,11H2
InChIKeyOKYZAJOOLYXSQD-UHFFFAOYSA-N
XLogP3.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine (CID 67996840) is 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine is Fc1ccccc1-n1nnnc1C(NCC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine?
The InChIKey is OKYZAJOOLYXSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5/c19-14-9-7-13(8-10-14)17(21-11-12-5-6-12)18-22-23-24-25(18)16-4-2-1-3-15(16)20/h1-4,7-10,12,17,21H,5-6,11H2.
What are the key properties of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine?
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine has a molecular weight of 357.82 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 67996840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).